SCHEMBL1040424

SCHEMBL1040424

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](COC(=O)OCCCCO[N+](=O)[O-])[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.31
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3945193 0.93 REN (0.33) REN
SCHEMBL3945188 0.93 REN (0.33) REN
SCHEMBL4533308 0.88 REN (0.39) REN
SCHEMBL4533306 0.88 REN (0.39) REN
SCHEMBL1038201 0.87 AXL (0.37) RENAXLMERTK
SCHEMBL1040426 0.86 REN (0.35) RENAXLMERTK
SCHEMBL1039721 0.85 AXL (0.37) RENAXLMERTK
SCHEMBL1035648 0.85 AXL (0.35) RENAXLMERTK
SCHEMBL1040564 0.84 REN (0.32) RENAXLMERTK
SCHEMBL1040425 0.84 REN (0.30) REN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed